相关论文: On Calculation of Thermal Conductivity from Einste…
A new formulation of the Kubo-Greenwood conductivity for average atom models is given. The new formulation improves upon previous by explicitly including the ionic-structure factor. Calculations based on this new expression lead to much…
We derive a universal thermodynamic uncertainty relation for Fermionic coherent transport, which bounds the total rate of entropy production in terms of the mean and fluctuations of a single particle current. This bound holds for any…
Using Kubo's linear response theory, we derive expressions for the frequency-dependent electrical conductivity (Kubo-Greenwood formula), thermopower, and thermal conductivity in a strongly correlated electron system. These are evaluated…
We consider heat transfer in one-dimensional systems with long-range interactions. It is known that typical short-range interacting systems shows anomalous behavior in heat transport when total momentum is conserved, whereas…
We study the thermal conductivity in the excitonic insulator using a simple quasi one-dimensional two-band model consisting of electron and hole bands with the Coulomb interactions between these bands. Based on the linear response theory…
We follow the nonequilibrium Green's function formalism to study time-dependent thermal transport in a linear chain system consisting of two semi-infinite leads connected together by a coupling that is harmonically modulated in time. The…
We clarify some aspects of the calculation of the thermal transport coefficients. For a tight-binding Hamiltonian we discuss the approximate nature of the charge current and the thermal current obtained by Peierls substitution which is also…
Currently, the most common method to calculate transport properties for materials under extreme conditions is based on the phenomenological Kubo-Greenwood method. The results of an inquiry into the justification and context of that model…
We consider the Gibbs representation over space-time of non-equilibrium dynamics of Hamiltonian systems defined on a lattice with local interactions. We first write the corresponding action functional as a sum of local terms, defining a…
We give a detailed presentation of the theory and numerical implementation of an expression for the adiabatic energy flux in extended systems, derived from density-functional theory. This expression can be used to estimate the heat…
Thermal conductivity is a fundamental material property that plays an essential role in technology, but its accurate evaluation presents a challenge for theory. In this work, we demonstrate the application of $E(3)$-equivariant neutral…
The Kubo formula describes a current as a response to an external field. In the case of heat conduction there is no such external field. We analyze why and to what extend it is nevertheless justified to describe heat conduction in modular…
The transport coefficients for a gas of smooth, inelastic hard spheres are obtained from the Boltzmann equation in the form of Green-Kubo relations. The associated time correlation functions are not simply those constructed from the fluxes…
We revisit a theory of heat transport in the light of a gauge theory of gravity and find the proper heat current with a corresponding gauge field, which yields the natural definitions of the heat magnetization and the Kubo-formula…
In this letter we derive a new method for direct calculation of the modal contributions to thermal conductivity, which is termed Green-Kubo modal analysis (GKMA). The GKMA method combines the lattice dynamics formalism with the Green-Kubo…
We consider chains consisting of several identical subsystems weakly coupled by various types of next neighbor interactions. At both ends the chain is coupled to a respective heat bath with different temperature modeled by a Lindblad…
Previously, the Einstein equation has been described as an equation of state, general relativity as the equilibrium state of gravity, and $f({\cal R})$ gravity as a non-equilibrium one. We apply Eckart's first order thermodynamics to the…
We derive expressions of interatomic force and heat current for many-body potentials such as the Tersoff, the Brenner, and the Stillinger-Weber potential used extensively in molecular dynamics simulations of covalently bonded materials.…
We study heat transport for solids in the presence of arbitrary time-dependent force. Using nonequilibrium Green's function (NEGF) approach we present an exact analytical expression of current for the linear system. We found that the heat…
In this work, we investigated tensile and compression forces effect on the thermal conductivity of silicon. We used equilibrium molecular dynamics approach for the evaluation of thermal conductivity considering different interatomic…